SCHEMBL20140388

SCHEMBL20140388

Cc1nc(C)c(C(=O)N2CCN(c3ccc(F)cn3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.47
RPTOR Q8N122 5/20 0.47
MLST8 Q9BVC4 5/20 0.47
SLC27A1 Q6PCB7 2/20 0.43
PPARG P37231 1/20 0.43
PARP1 P09874 1/20 0.42
TP53 P04637 1/20 0.41
RET P07949 7/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20156964 0.89 MTOR (0.49) MTORRPTORMLST8SLC27A1PPARG
SCHEMBL20139973 0.89 MTOR (0.57) MTORRPTORMLST8PARP1TP53
SCHEMBL20139894 0.87 MTOR (0.47) MTORRPTORMLST8SLC27A1PARP1
SCHEMBL20141707 0.87 MTOR (0.47) MTORRPTORMLST8PPARGPARP1
SCHEMBL20140541 0.86 MTOR (0.46) MTORRPTORMLST8SLC27A1PARP1
SCHEMBL20140097 0.85 MTOR (0.51) MTORRPTORMLST8PARP1TP53
SCHEMBL20139934 0.85 PPARG (0.47) MTORRPTORMLST8SLC27A1PPARG
SCHEMBL20159153 0.85 MTOR (0.61) MTORRPTORMLST8SLC27A1PPARG
SCHEMBL20140146 0.83 KDM4E (0.53) MTORRPTORMLST8PARP1DRD2
SCHEMBL20157251 0.83 PARP1 (0.49) MTORRPTORMLST8PPARGPARP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed